SCHEMBL23152128

SCHEMBL23152128

NC(=O)OCCCCCCCCCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.46
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
CHRM2 P08172 2/20 0.43
CHRM4 P08173 2/20 0.43
CHRM5 P08912 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
TSHR P16473 2/20 0.43
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
HTR1A P08908 1/20 0.43
CYP2C19 P33261 1/20 0.43
CHRNA7 P36544 1/20 0.43
ALOX15 P16050 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
GPR84 Q9NQS5 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2636144 1.00 ACHE (0.46) ACHELMNAGAACHRM2CHRM4
SCHEMBL3423352 1.00 ACHE (0.46) ACHELMNAGAACHRM2CHRM4
SCHEMBL11752286 1.00 ACHE (0.46) ACHELMNAGAACHRM2CHRM4
SCHEMBL22326322 1.00 ACHE (0.46) ACHELMNAGAACHRM2CHRM4
SCHEMBL1132887 0.97
SCHEMBL28612804 0.91 GAA (0.52) ACHELMNAGAACHRM2CHRM4
SCHEMBL88487 0.90
SCHEMBL5721317 0.89 TSHR (0.50) ACHELMNACHRM2CHRM4CHRM5
SCHEMBL2059697 0.89 TSHR (0.50) ACHELMNACHRM2CHRM4CHRM5
SCHEMBL2136691 0.89 TSHR (0.50) ACHELMNACHRM2CHRM4CHRM5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021058017-A1 DEGRADATION OF ANDROGEN RECEPTOR (AR) BY CONJUGATION OF AR ANTAGONISTS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2021-04-01 WO disclosed